N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine

C25H24N6S — CID 141009758

IUPACN-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCNCC4)cc3)cc2n1
InChIInChI=1S/C25H24N6S/c1-3-18(4-2-17(1)15-31-11-9-26-10-12-31)23-14-22-24(32-23)25(29-16-28-22)30-20-5-6-21-19(13-20)7-8-27-21/h1-8,13-14,16,26-27H,9-12,15H2,(H,28,29,30)
InChIKeyGYONFADMAAOBAB-UHFFFAOYSA-N
MW440.58 g/mol
LogP4.99
Rot. Bonds5

About N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine

N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 141009758) has the molecular formula C25H24N6S and a molecular weight of 440.58 g/mol. Its IUPAC name is N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID141009758
Molecular FormulaC25H24N6S
Molecular Weight440.58 g/mol
Exact Mass440.18
IUPAC NameN-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine
SMILESc1nc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCNCC4)cc3)cc2n1
InChIInChI=1S/C25H24N6S/c1-3-18(4-2-17(1)15-31-11-9-26-10-12-31)23-14-22-24(32-23)25(29-16-28-22)30-20-5-6-21-19(13-20)7-8-27-21/h1-8,13-14,16,26-27H,9-12,15H2,(H,28,29,30)
InChIKeyGYONFADMAAOBAB-UHFFFAOYSA-N
XLogP4.99
TPSA68.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.58
LogP ≤ 54.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine (CID 141009758) is N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine is c1nc(Nc2ccc3[nH]ccc3c2)c2sc(-c3ccc(CN4CCNCC4)cc3)cc2n1.
What is the InChIKey of N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is GYONFADMAAOBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6S/c1-3-18(4-2-17(1)15-31-11-9-26-10-12-31)23-14-22-24(32-23)25(29-16-28-22)30-20-5-6-21-19(13-20)7-8-27-21/h1-8,13-14,16,26-27H,9-12,15H2,(H,28,29,30).
What are the key properties of N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine?
N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 440.58 g/mol, XLogP of 4.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)-6-[4-(piperazin-1-ylmethyl)phenyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 141009758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).